1-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrole-2,5-dione
Formula:C19H13NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrole-2,5-dione is a drug-like molecule.
| MolName | 1-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]pyrrole-2,5-dione |
| MolecularFormula | C19H13NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(C(C=C1)=O)C1=O)c1ccccc1 |
| InChI | InChI=1S/C19H13NO3/c21-17(15-4-2-1-3-5-15)11-8-14-6-9-16(10-7-14)20-18(22)12-13-19(20)23/h1-13H |
| InChIK | COCOJPFGMSTANK-UHFFFAOYSA-N |
| TotalMolweight | 303.316 |
| Molweight | 303.316 |
| MonoisotopicMass | 303.089544 |
| CLogP | 2.387 |
| CLogS | -4.298 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.07 |
| Relative PSA | 0.18075 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | -4.8963 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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